SCHEMBL20045462

SCHEMBL20045462

C=CC(=O)N1CC(N2CCc3ccc(-c4cc(O)cc5ccccc45)cc3C2=O)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KRAS P01116 8/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MPI P34949 1/20 0.36
KMT2A Q03164 1/20 0.36
BTK Q06187 8/20 0.36
KDM5A P29375 1/20 0.35
LCK P06239 1/20 0.34
SRC P12931 1/20 0.34
EGFR P00533 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20132862 0.91 KDM4E (0.38) KRASKDM4EMEN1ALDH1A1MAPT
SCHEMBL20045456 0.86 KDM5A (0.39) KRASBTKKDM5ALCKSRC
SCHEMBL20045428 0.85 KRAS (0.39) KRASKDM4EMEN1ALDH1A1MAPT
SCHEMBL20045458 0.84 EGFR (0.42) BTKEGFR
SCHEMBL20045924 0.84 KRAS (0.39) KRASKDM4EMEN1ALDH1A1MAPT
SCHEMBL20045453 0.84 KRAS (0.39) KRASKDM4EMEN1ALDH1A1MAPT
SCHEMBL20046515 0.83 KRAS (0.37) KRASKDM4EMEN1ALDH1A1MAPT
SCHEMBL20132942 0.82 KRAS (0.38) KRASKDM4EMEN1ALDH1A1MAPT
SCHEMBL20046206 0.82 KDM4E (0.40) KRASKDM4EMEN1ALDH1A1MAPT
SCHEMBL20045452 0.82 KDM4E (0.36) KRASKDM4EMEN1ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10377743-B2 Inhibitors of RAS and methods of use thereof ARAXES PHARMA LLC (US) 2019-08-13 US disclosed
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2018-05-10 US disclosed
WO-2018068017-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF RAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2018-04-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10377743-B2 Inhibitors of RAS and methods of use thereof KRAS, NRAS, HRAS KRAS 1/4885KDM4E 3709/4885MEN1 192/4885
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS KRAS 1/4885KDM4E 3583/4885MEN1 266/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.